ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

C89H76N20O24S11 — CID 160976566

About ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (PubChem CID 160976566) has the molecular formula C89H76N20O24S11 and a molecular weight of 2162.44 g/mol. Its IUPAC name is ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 160976566
• Molecular Formula: C89H76N20O24S11
• Molecular Weight: 2162.44 g/mol
• Exact Mass: 2160.23
• IUPAC Name: ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
• SMILES: CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1cn2cc(S(C)(=O)=O)ccc2n1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cn2cc(S(C)(=O)=O)ccc2n1.COCCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ncccc2s1.O=C(CC(=O)c1ccsc1NC(=O)c1nc2ncccc2s1)OCCOCc1ccccc1.O=C(Nc1sccc1C(=O)Nc1nccs1)c1nc2cnccc2s1
• InChI: InChI=1S/C23H19N3O5S2.C18H18N4O6S2.C17H16N4O6S2.C16H14N4O5S2.C15H9N5O2S3/c27-17(13-19(28)31-11-10-30-14-15-5-2-1-3-6-15)16-8-12-32-22(16)26-21(29)23-25-20-18(33-23)7-4-9-24-20;1-10(2)28-18(25)21-15(23)12-6-7-29-17(12)20-16(24)13-9-22-8-11(30(3,26)27)4-5-14(22)19-13;1-3-27-17(24)20-14(22)11-6-7-28-16(11)19-15(23)12-9-21-8-10(29(2,25)26)4-5-13(21)18-12;1-24-6-7-25-16(23)20-12(21)9-4-8-26-14(9)19-13(22)15-18-11-10(27-15)3-2-5-17-11;21-11(20-15-17-4-6-24-15)8-2-5-23-13(8)19-12(22)14-18-9-7-16-3-1-10(9)25-14/h1-9,12H,10-11,13-14H2,(H,26,29);4-10H,1-3H3,(H,20,24)(H,21,23,25);4-9H,3H2,1-2H3,(H,19,23)(H,20,22,24);2-5,8H,6-7H2,1H3,(H,19,22)(H,20,21,23);1-7H,(H,19,22)(H,17,20,21)
• InChIKey: SYYJHEZEOHSGIM-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 595.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 30
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2162.44
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (CID 160976566) is ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1cn2cc(S(C)(=O)=O)ccc2n1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cn2cc(S(C)(=O)=O)ccc2n1.COCCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ncccc2s1.O=C(CC(=O)c1ccsc1NC(=O)c1nc2ncccc2s1)OCCOCc1ccccc1.O=C(Nc1sccc1C(=O)Nc1nccs1)c1nc2cnccc2s1.

What is the InChIKey of ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?

The InChIKey is SYYJHEZEOHSGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S2.C18H18N4O6S2.C17H16N4O6S2.C16H14N4O5S2.C15H9N5O2S3/c27-17(13-19(28)31-11-10-30-14-15-5-2-1-3-6-15)16-8-12-32-22(16)26-21(29)23-25-20-18(33-23)7-4-9-24-20;1-10(2)28-18(25)21-15(23)12-6-7-29-17(12)20-16(24)13-9-22-8-11(30(3,26)27)4-5-14(22)19-13;1-3-27-17(24)20-14(22)11-6-7-28-16(11)19-15(23)12-9-21-8-10(29(2,25)26)4-5-13(21)18-12;1-24-6-7-25-16(23)20-12(21)9-4-8-26-14(9)19-13(22)15-18-11-10(27-15)3-2-5-17-11;21-11(20-15-17-4-6-24-15)8-2-5-23-13(8)19-12(22)14-18-9-7-16-3-1-10(9)25-14/h1-9,12H,10-11,13-14H2,(H,26,29);4-10H,1-3H3,(H,20,24)(H,21,23,25);4-9H,3H2,1-2H3,(H,19,23)(H,20,22,24);2-5,8H,6-7H2,1H3,(H,19,22)(H,20,21,23);1-7H,(H,19,22)(H,17,20,21).

What are the key properties of ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?

ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide has a molecular weight of 2162.44 g/mol, XLogP of 14.83, 30 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-phenylmethoxyethyl 3-oxo-3-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;propan-2-yl N-[2-[(6-methylsulfonylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;N-[3-(1,3-thiazol-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 160976566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).